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CHEBI:92876 - LSM-3111

ChEBI IDCHEBI:92876
ChEBI NameLSM-3111
Stars
DownloadsMolfile
FormulaC44H43N3O9
Net Charge0
Average Mass757.840
Monoisotopic Mass757.29993
SMILESCOc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4
InChIInChI=1S/C44H43N3O9/c1-45-18-16-29-23-37(51-3)39-25-33(29)34(45)20-26-6-13-32(14-7-26)54-38-22-27(8-15-36(38)56-44(48)28-9-11-31(12-10-28)47(49)50)21-35-41-30(17-19-46(35)2)24-40(52-4)42(53-5)43(41)55-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
InChIKeyPUAVTDKYTXNVBU-OIDHKYIRSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-3111 (CHEBI:92876) is a phenylpropanoid (CHEBI:26004)
Manual XrefsDatabases
LSM-3111LINCS